Sugi Predict

Sugi Predict / Compounds / SCHEMBL4628895

SCHEMBL4628895

SCHEMBL4628895

NC(=O)c1[c]ccc(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.43
▸ TSHR P16473 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NNMT P40261 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PARP15 Q460N3 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4626841 0.90 PARP1 (0.41) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL12971526 0.80 PARP1 (0.47) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL27946268 0.80 PARP1 (0.42) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL1638088 0.78 PARP1 (0.48) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL425996 0.78 PARP1 (0.48) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL195987 0.78 PARP1 (0.48) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL27914228 0.77 MAPT (0.34) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL5217422 0.77 PARP1 (0.43) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL196740 0.76 PARP1 (0.45) PARP1TSHRHSD17B10MAPTL3MBTL1
SCHEMBL10388490 0.76 PARP1 (0.45) PARP1CYP2C19L3MBTL1SMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 — — EP claimed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 — — US claimed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 — — EP claimed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 — — WO claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 — — US claimed
CN-110016025-A A kind of immunomodulator 成都先导药物开发股份有限公司 2019-07-16 — — CN disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 — — EP disclosed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 — — EP disclosed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 — — US disclosed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 — — EP disclosed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 — — WO disclosed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 — — US disclosed
EP-0324562-A1 1-Carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-07-19 — — EP disclosed
US-4820832-A Process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins ELI LILLY AND COMPANY (US) 1989-04-11 — — US disclosed
US-4820816-A 3-trifuoromethylsulfonyloxy-substituted 1-carbacephalosporins as intermediates for antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-04-11 — — US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 — — US disclosed
US-4778884-A REACTING TRIFLUOROMETHYLSULFONYLOXY COMPOUND WITH LITHIUM HALIDE IN APROTIC POLAR SOLVENT PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1988-10-18 — — US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 — — EP disclosed
US-4673737-A ANTIBIOTICS/ HARVARD UNIVERSITY (US) 1987-06-16 — — US disclosed
EP-0211540-A1 Intermediates and process for antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-02-25 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 PARP1 1054/4885TSHR 2875/4885HSD17B10 2048/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.